(2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone

C20H23NO2S — CID 112759878

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(CSc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H23NO2S/c1-15-12-21(13-16(2)23-15)20(22)18-10-8-17(9-11-18)14-24-19-6-4-3-5-7-19/h3-11,15-16H,12-14H2,1-2H3
InChIKeyHXHDBSQWWVQRHU-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.23
Rot. Bonds4

About (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone (PubChem CID 112759878) has the molecular formula C20H23NO2S and a molecular weight of 341.48 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
PubChem CID112759878
Molecular FormulaC20H23NO2S
Molecular Weight341.48 g/mol
Exact Mass341.14
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
SMILESCC1CN(C(=O)c2ccc(CSc3ccccc3)cc2)CC(C)O1
InChIInChI=1S/C20H23NO2S/c1-15-12-21(13-16(2)23-15)20(22)18-10-8-17(9-11-18)14-24-19-6-4-3-5-7-19/h3-11,15-16H,12-14H2,1-2H3
InChIKeyHXHDBSQWWVQRHU-UHFFFAOYSA-N
XLogP4.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 17312948
phenyl-[4-[4-(phenylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone
CID 112792143
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
[4-(5-benzylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 112759873
[4-[[4-[benzyl(methyl)amino]-6-chloropyrimidin-2-yl]sulfanylmethyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42754477
(4-methyl-1,4-diazepan-1-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone
CID 112791425
2-[1-[4-(phenylsulfanylmethyl)benzoyl]piperidin-4-yl]acetic acid
CID 119178245
[4-(1-aminoethyl)piperidin-1-yl]-[4-(phenylsulfanylmethyl)phenyl]methanone;hydrochloride
CID 119520631

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone (CID 112759878) is (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone is CC1CN(C(=O)c2ccc(CSc3ccccc3)cc2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
The InChIKey is HXHDBSQWWVQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2S/c1-15-12-21(13-16(2)23-15)20(22)18-10-8-17(9-11-18)14-24-19-6-4-3-5-7-19/h3-11,15-16H,12-14H2,1-2H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone has a molecular weight of 341.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-(phenylsulfanylmethyl)phenyl]methanone is sourced from PubChem (CID 112759878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).